Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | EGFR | P00533 | 2/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | PHF8 | Q9UPP1 | 2/20 | 0.32 |
| ▸ | KDM2A | Q9Y2K7 | 2/20 | 0.32 |
| ▸ | KDM6B | O15054 | 1/20 | 0.32 |
| ▸ | KDM5C | P41229 | 1/20 | 0.32 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL17884489 | 0.89 | ACE (0.50) | ACELMNAALDH1A1KDM4EPHF8 | |
| SCHEMBL10669712 | 0.89 | ALDH1A1 (0.53) | LMNAALDH1A1KDM4ECHRM1PHF8 | |
| SCHEMBL2111443 | 0.86 | TDP1 (0.35) | LMNAALDH1A1KDM4EEGFRUSP2 | |
| SCHEMBL6701745 | 0.85 | — | — | |
| SCHEMBL19759003 | 0.83 | TSHR (0.59) | LMNAALDH1A1KDM4EPHF8KDM2A | |
| SCHEMBL15627459 | 0.81 | CAMK2A (0.42) | LMNAALDH1A1KDM4E | |
| SCHEMBL3671115 | 0.81 | ALDH1A1 (0.52) | ALDH1A1TDP1KMT2ATSHR | |
| SCHEMBL6704974 | 0.80 | EGFR (0.32) | ALDH1A1KDM4EEGFRUSP2TDP1 | |
| SCHEMBL15813390 | 0.79 | ALDH1A1 (0.50) | ALDH1A1TDP1KMT2ATSHR | |
| SCHEMBL13672687 | 0.79 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5352833-A | Microbiocide | ISP INVESTMENTS INC. (US) | 1994-10-04 | — | — | US | disclosed |
| WO-1994009768-A1 | ANTIBACTERIAL POLYMERIC QUATERNARY AMMONIUM COMPOUNDS | ISP INVESTMENTS INC. (US) | 1994-05-11 | — | — | WO | disclosed |